7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane

C29H42N8O2 — CID 157389733

About 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane

7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane (PubChem CID 157389733) has the molecular formula C29H42N8O2 and a molecular weight of 534.71 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane
• PubChem CID: 157389733
• Molecular Formula: C29H42N8O2
• Molecular Weight: 534.71 g/mol
• Exact Mass: 534.34
• IUPAC Name: 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane
• SMILES: C.C.CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCCC(C4)N5)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C27H34N8O2.2CH4/c1-33(2)26(37)22-12-18-14-29-27(32-24(18)35(22)21-8-3-4-9-21)31-23-11-10-17(13-28-23)25(36)34-15-19-6-5-7-20(16-34)30-19;;/h10-14,19-21,30H,3-9,15-16H2,1-2H3,(H,28,29,31,32);2*1H4
• InChIKey: BLWASUAPEXIZSA-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 108.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.71
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane?

The IUPAC name of 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane (CID 157389733) is 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane.

What is the SMILES notation for 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane?

The canonical SMILES for 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane is C.C.CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCCC(C4)N5)cn3)nc2n1C1CCCC1.

What is the InChIKey of 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane?

The InChIKey is BLWASUAPEXIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2.2CH4/c1-33(2)26(37)22-12-18-14-29-27(32-24(18)35(22)21-8-3-4-9-21)31-23-11-10-17(13-28-23)25(36)34-15-19-6-5-7-20(16-34)30-19;;/h10-14,19-21,30H,3-9,15-16H2,1-2H3,(H,28,29,31,32);2*1H4.

What are the key properties of 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane?

7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane has a molecular weight of 534.71 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane is sourced from PubChem (CID 157389733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).